(4-cyano-1-phosphono-3-pyridin-3-yl-butyl)phosphonic acid

Systemtic Name: (4-cyano-1-phosphono-3-pyridin-3-yl-butyl)phosphonic acid Openeye Name: [4-cyano-1-phosphono-3-(3-pyridyl)butyl]phosphonic acid CAS Name: [4-cyano-1-phosphono-3-(3-pyridinyl)butyl]phosphonic acid IUPAC Name: (4-cyano-1-phosphono-3-pyridin-3-ylbutyl)phosphonic acid Traditional Name: [4-cyano-1-phosphono-3-(3-pyridyl)butyl]phosphonic acid Formula: C10H14N2O6P2 MolecularWeight: 320.175482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CC#N)CC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC(=CN=C1)C(CC#N)CC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C10H14N2O6P2/c11-4-3-8(9-2-1-5-12-7-9)6-10(19(13,14)15)20(16,17)18/h1-2,5,7-8,10H,3,6H2,(H2,13,14,15)(H2,16,17,18)